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  1. ALA5281143

    Name:
    2-(5-(1-(4-chlorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More

    Mol. Formula:
    C20H13ClN2O4S2

    M.W.:
    444.92

    Type:
    ---

    AlogP:
    3.54

    Polar Surface Area:
    77.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA5276327

    Name:
    3-(5-(1-(4-fluorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More

    Mol. Formula:
    C21H15FN2O4S2

    M.W.:
    442.49

    Type:
    ---

    AlogP:
    3.42

    Polar Surface Area:
    77.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA5273280

    Name:
    5-(1-(4-methylbenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidine-3-Show More

    Mol. Formula:
    C20H14N2O4S2

    M.W.:
    410.48

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    77.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA5284400

    Name:
    (S)-6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-yn-1-yl)pyrimidineShow More

    Mol. Formula:
    C22H23N5O

    M.W.:
    373.46

    Type:
    ---

    AlogP:
    3.43

    Polar Surface Area:
    99.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA5283880

    Name:
    (2R,2'R,4a'S,6'R,8a'S)-2',5',5',8a'-tetraethyl-4,6'-dihydroxy-3',4',4a',5',Show More

    Mol. Formula:
    C27H38O5

    M.W.:
    442.60

    Type:
    ---

    AlogP:
    5.53

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  6. ALA5289313

    Name:
    2-(5-(1-(2-chlorobenzyl)-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-Show More

    Mol. Formula:
    C20H13ClN2O4S2

    M.W.:
    444.92

    Type:
    ---

    AlogP:
    3.54

    Polar Surface Area:
    77.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA5287382

    Name:
    3-(5-(2,4-diamino-6-propylbenzyl)-2,3-dimethoxyphenyl)-1-(1-(2-methylprop-1Show More

    Mol. Formula:
    C33H38N4O3

    M.W.:
    538.69

    Type:
    ---

    AlogP:
    6.31

    Polar Surface Area:
    103.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  8. ALA4588910

    Name:
    (R)-6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,Show More

    Mol. Formula:
    C22H23N5O

    M.W.:
    373.46

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    99.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA4581145

    Name:
    5-(3-(3,4-Dimethoxy-5-(pyridin-4-yl)phenyl)prop-1-ynyl)-6-ethylpyrimidine-2Show More

    Mol. Formula:
    C22H23N5O2

    M.W.:
    389.46

    Type:
    Unknown

    AlogP:
    2.88

    Polar Surface Area:
    109.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA4532935

    Name:
    6-ethyl-5-(3-(7-(pyridin-4-yl)benzo[d][1,3]dioxol-5-yl)but-1-ynyl)pyrimidinShow More

    Mol. Formula:
    C22H21N5O2

    M.W.:
    387.44

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    109.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. ALA4483572

    Name:
    (R)-6-ethyl-5-(3-(3-methoxy-5-(pyridin-4-yl)phenyl)but-1-ynyl)pyrimidine-2,Show More

    Mol. Formula:
    C22H23N5O

    M.W.:
    373.46

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    99.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA4483336

    Name:
    (R)-6-ethyl-5-(3-(7-(pyridin-4-yl)benzo[d][1,3]dioxol-5-yl)but-1-ynyl)pyrimShow More

    Mol. Formula:
    C22H21N5O2

    M.W.:
    387.44

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    109.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  13. ALA3828772

    Name:
    (S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More

    Mol. Formula:
    C24H24N4O3

    M.W.:
    416.48

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA3828771

    Name:
    3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-ynyl)-5'-methoxybiphenyl-4-Show More

    Mol. Formula:
    C23H22N4O3

    M.W.:
    402.45

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA3828581

    Name:
    (S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-5'-methoxybipheShow More

    Mol. Formula:
    C24H24N4O3

    M.W.:
    416.48

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA3828485

    Name:
    6-Ethyl-5-[3S-(3-methoxy-5-(4-carboxyphenyl)-phenyl)-but-1-ynyl]-pyrimidineShow More

    Mol. Formula:
    C24H24N4O3

    M.W.:
    416.48

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  17. ALA3827760

    Name:
    (R)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More

    Mol. Formula:
    C26H28N4O5

    M.W.:
    476.53

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA3827326

    Name:
    (S)-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-4'-methoxybipheShow More

    Mol. Formula:
    C26H28N4O5

    M.W.:
    476.53

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA3828291

    Name:
    6-Ethyl-5-[3-(3-methoxy-5-(4-carboxyphenyl)-phenyl)-prop-1-ynyl]-pyrimidineShow More

    Mol. Formula:
    C25H23F3N4O5

    M.W.:
    516.48

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  20. ALA3827532

    Name:
    6-Ethyl-5-[3-(2-methoxy-5-(4-carboxyphenyl)-phenyl)-prop-1-ynyl]-pyrimidineShow More

    Mol. Formula:
    C23H22N4O3

    M.W.:
    402.45

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    124.35

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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